Materials Data on YSi2Ni by Materials Project

Abstract

YNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All Y–Ni bond lengths are 3.05 Å. There are a spread of Y–Si bond distances ranging from 3.01–3.13 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Y and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.27–2.33 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Y, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å. In the second Si site, Si is bonded in a 12-coordinate geometry to four equivalent Y and four equivalent Ni atoms.